Quantum Mechanical Studies of Interacting Modes in Molecules and Solids

在理论和计算化学计划中，这项拨款支持研究低温下分子和固体的动力学和松弛的理论研究。将讨论激子的弛豫、无序系统中的激发输运以及与恒温库的强耦合对隧穿的影响。这项工作的意义在于对晶体材料的结构和性质以及它们与不同频率或颜色的光的相互作用的基本见解。这些洞察力将扩展到包括玻璃固体，它不具有晶体中的规则排列程度。这些材料吸收能量的方式是这个项目的一个特别关注的焦点。这些结果将对对这些材料进行实验的小组具有直接价值。

This grant, in the Theoretical and Computational Chemistry Program, supports theoretical research to study the dynamics and relaxation of molecules and solids at low temperatures. Problems in relaxation of excitons, excitation transport in disordered systems, and the effect of strong coupling to a constant temperature reservoir on tunneling will be addressed. The significance of the work lies in the fundamental insights into the structure and properties of crystalline materials and their interactions with light of various frequencies or colors. These insights will be extended to include glassy solids, which do not have the degree of regular arrangement found in crystals. The ways in which energy is absorbed by these materials is a particular focus of this project. The results will be of direct value to groups performing experiments on these materials.